3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine

C19H26N2O2S — CID 167358488

IUPAC3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine
SMILESCCOC[C@@]1(COc2cccs2)CCN(Cc2cccnc2C)C1
InChIInChI=1S/C19H26N2O2S/c1-3-22-14-19(15-23-18-7-5-11-24-18)8-10-21(13-19)12-17-6-4-9-20-16(17)2/h4-7,9,11H,3,8,10,12-15H2,1-2H3/t19-/m1/s1
InChIKeyYSEHIMAPBINGDV-LJQANCHMSA-N
MW346.50 g/mol
LogP3.76
Rot. Bonds8

About 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine

3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine (PubChem CID 167358488) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine
PubChem CID167358488
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine
SMILESCCOC[C@@]1(COc2cccs2)CCN(Cc2cccnc2C)C1
InChIInChI=1S/C19H26N2O2S/c1-3-22-14-19(15-23-18-7-5-11-24-18)8-10-21(13-19)12-17-6-4-9-20-16(17)2/h4-7,9,11H,3,8,10,12-15H2,1-2H3/t19-/m1/s1
InChIKeyYSEHIMAPBINGDV-LJQANCHMSA-N
XLogP3.76
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The IUPAC name of 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine (CID 167358488) is 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The canonical SMILES for 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine is CCOC[C@@]1(COc2cccs2)CCN(Cc2cccnc2C)C1.
What is the InChIKey of 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The InChIKey is YSEHIMAPBINGDV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-3-22-14-19(15-23-18-7-5-11-24-18)8-10-21(13-19)12-17-6-4-9-20-16(17)2/h4-7,9,11H,3,8,10,12-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine?
3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine has a molecular weight of 346.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 167358488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).